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Name | CHEMBL327231 |
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Molecular formula | C27H33FN8O2 |
IUPAC name | 4-[3-[4-[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]piperazin-1-yl]propylamino]-N,N,1,3-tetramethylpyrazolo[3,4-b]pyridine-5-carboxamide |
Molecular weight | 520.613 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.4 |
Synonyms | N,N,1,3-Tetramethyl-4-[3-[4-[2-(oxazol-2-yl)-4-fluorophenyl]piperazino]propylamino]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide |
Inchi Key | FPZDPICFUSMQDJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H33FN8O2/c1-18-23-24(21(27(37)33(2)3)17-31-25(23)34(4)32-18)29-8-5-10-35-11-13-36(14-12-35)22-7-6-19(28)16-20(22)26-30-9-15-38-26/h6-7,9,15-17H,5,8,10-14H2,1-4H3,(H,29,31) |
PubChem CID | 10506159 |
ChEMBL | CHEMBL327231 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
84497 | Alpha-1A adrenergic receptor | O02824 | ADRA1A | Oryctolagus cuniculus (Rabbit) | 466 |
84498 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
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